[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

C25H24N2O4 — CID 7854675

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCCc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-2-18-8-14-22(15-9-18)27-23(28)17-31-24(29)16-26-25(30)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H,26,30)(H,27,28)
InChIKeyYZRMDTUBQGTDNA-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.83
Rot. Bonds8

About [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 7854675) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID7854675
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCCc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-2-18-8-14-22(15-9-18)27-23(28)17-31-24(29)16-26-25(30)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H,26,30)(H,27,28)
InChIKeyYZRMDTUBQGTDNA-UHFFFAOYSA-N
XLogP3.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29197914
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-(4-ethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883995
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4655498
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
dimethyl 2-[[2-[2-[(4-phenylbenzoyl)amino]acetyl]oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 5053352
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921393
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 7854675) is [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is CCc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is YZRMDTUBQGTDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-2-18-8-14-22(15-9-18)27-23(28)17-31-24(29)16-26-25(30)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H,26,30)(H,27,28).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 416.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 7854675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).